[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone

C22H20FN7O — CID 154700389

IUPAC[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20FN7O/c23-15-11-13(5-6-14(15)22(31)30-9-7-25-8-10-30)18-12-26-20(24)19(27-18)21-28-16-3-1-2-4-17(16)29-21/h1-6,11-12,25H,7-10H2,(H2,24,26)(H,28,29)
InChIKeyZPSQBNSDHQDZOD-UHFFFAOYSA-N
MW417.45 g/mol
LogP2.45
Rot. Bonds3

About [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone

[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone (PubChem CID 154700389) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
PubChem CID154700389
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20FN7O/c23-15-11-13(5-6-14(15)22(31)30-9-7-25-8-10-30)18-12-26-20(24)19(27-18)21-28-16-3-1-2-4-17(16)29-21/h1-6,11-12,25H,7-10H2,(H2,24,26)(H,28,29)
InChIKeyZPSQBNSDHQDZOD-UHFFFAOYSA-N
XLogP2.45
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162227855
[4-[5-amino-6-(6-methoxy-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 154700394
[4-[5-amino-6-(4-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 154700390
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-(1,4-diazepan-1-yl)methanone;ethanol;molecular hydrogen;phosphane;hydrate
CID 158813292
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158278038
3-amino-1-[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one;molecular hydrogen
CID 160531501
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone
CID 59471799
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 162039764
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;molecular hydrogen
CID 161401655
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-cyclopentylmethanone
CID 66745483
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-3-ylmethanone;molecular hydrogen
CID 159470106
tert-butyl 4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 66744919

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone (CID 154700389) is [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
The InChIKey is ZPSQBNSDHQDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c23-15-11-13(5-6-14(15)22(31)30-9-7-25-8-10-30)18-12-26-20(24)19(27-18)21-28-16-3-1-2-4-17(16)29-21/h1-6,11-12,25H,7-10H2,(H2,24,26)(H,28,29).
What are the key properties of [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone?
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone has a molecular weight of 417.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154700389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).